317-70-4

Basic information

• Product Name: 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene
• Synonyms: 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene
• CAS NO: 317-70-4
• Molecular Formula: C₈H₅F₃N₂O₅
• Molecular Weight: 266.1309096
• Mol File: 317-70-4.mol
• Article Data: 8

Chemical Properties

• Melting Point: 56-57 °C
• Boiling Point: 312.7±42.0 °C(Predicted)
• Appearance: /
• Density: 1.559±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene(317-70-4)
• EPA Substance Registry System: 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene(317-70-4)

Safety Data

• Hazardous Substances Data: 317-70-4(Hazardous Substances Data)

Upstream product

• 393-75-9 4-chloro-3,5-dinitrobenzotrifluoride 
• 124-41-4 sodium methylate 
• 67-56-1 methanol 
• 3315-60-4 methanolate 
• 28933-97-3 2,6-Dinitro-1,1-dimethoxy-4-trifluormethyl-cyclohexadienid 

Downstream Products

• 28933-97-3 2,6-Dinitro-1,1-dimethoxy-4-trifluormethyl-cyclohexadienid 
• 71352-64-2 4-methoxy-3,5-diamino-α,α,α-trifluoromethylbenzene 
• 2002-68-8 2,6-dinitro-4-(trifluoromethyl)phenylhydrazine 

Relevant articles and documents

Design, synthesis, and biological evaluation of novel substituted thiourea derivatives as potential anticancer agents for NSCLC by blocking K-Ras protein-effectors interactions

Mutation of the proto-oncogene K-Ras is one of the most common molecular mechanisms in non-small cell lung cancer. Many drugs for treating lung cancer have been developed, however, due to clinical observed K-Ras mutations, corresponding chemotherapy and targeted therapy for such mutation are not efficient enough. In this study, on the basis of the crystal structure of K-Ras, 21 analogues (TKR01–TKR21) containing urea or thiourea were rationally designed, which can effectively inhibit the lung cancer cell A549 growth. The designing of these compounds was based on the structure of K-Ras protein, and the related groups were replaced by bioisosteres to improve the affinity and selectivity. Biological testing revealed that compound TKR15 could significantly inhibit the proliferation of A549 cell with IC50 of 0.21 μM. Docking analysis showed that the TKR15 can effectively bind to the hydrophobic cavity and form a hydrogen bond with the Glu37. In addition, through flow apoptosis assay and immunofluorescence staining assay, it confirmed that this compound can inhibit A549 cell proliferation with the mechanism of blocking K-RasG12V protein and effector proteins interactions through the apoptotic pathway. In conclusion, our studies in finding novel potent compound (TKR15) with confirmed mechanism showed great potential for further optimisation and other medicinal chemistry relevant studies.

Compound comprising urea and thiourea structures and synthesis method and application of compound

The invention relates to an organic small molecular compound comprising urea and thiourea structures in a formula I and a synthesis method and application of the compound. According to in-vitro antitumor activity tests, the compound has high antitumor act

FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES

Disclosed are compounds of formula (I) wherein R1, R2, W and X of formula (I) are defined herein. The compounds inhibit production of cytokines involved in inflammatory processes and are thus useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. Also disclosed are processes for preparing these compounds and pharmaceutical compositions comprising these compounds.